2-Propanol, 1,3-dibutoxy-, acetate
TL;DR: 2-Propanol, 1,3-dibutoxy-, acetate (CAS 63716-04-1) is a chemical compound with molecular formula C13H26O4 and molecular weight 246.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibutoxypropan-2-yl acetate
Also Known As: 1,3-Dibutoxy-2-propanol acetate, 1,3-dibutoxypropan-2-yl acetate, 2-Propanol, 1,3-dibutoxy-, acetate, 2-acetoxy-1,3-dibutoxy-propane, KST-1B6897
Technical Specifications
| Molecular Formula | C13H26O4 |
| Molecular Weight | 246.1831 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.1831 Da |
| Heavy Atoms | 17 |
| Complexity | 170.0 |
| SMILES | CCCCOCC(COCCCC)OC(=O)C |
| InChIKey | WAUDIBKITGHWMS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanol, 1,3-dibutoxy-, acetate
Property Insights of 2-Propanol, 1,3-dibutoxy-, acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1,3-dibutoxy-, acetate. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Propanol, 1,3-dibutoxy-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1,3-dibutoxy-, acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propanol, 1,3-dibutoxy-, acetate?
The CAS number of 2-Propanol, 1,3-dibutoxy-, acetate is 63716-04-1.
What is the molecular formula of 2-Propanol, 1,3-dibutoxy-, acetate?
The molecular formula of 2-Propanol, 1,3-dibutoxy-, acetate is C13H26O4.
What is the molecular weight of 2-Propanol, 1,3-dibutoxy-, acetate?
The molecular weight of 2-Propanol, 1,3-dibutoxy-, acetate is 246.1831 g/mol.
Where can I buy 2-Propanol, 1,3-dibutoxy-, acetate?
You can request a quote for 2-Propanol, 1,3-dibutoxy-, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanol, 1,3-dibutoxy-, acetate?
Yes, CoreyChem provides custom synthesis services for 2-Propanol, 1,3-dibutoxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.